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Compile Data Set for Download or QSAR

Found 358 hits with Last Name = 'fox' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50246899
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assay


J Med Chem 51: 7933-43 (2008)


Article DOI: 10.1021/jm801055h
BindingDB Entry DOI: 10.7270/Q2RV0NKJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50246899
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assay


J Med Chem 51: 7933-43 (2008)


Article DOI: 10.1021/jm801055h
BindingDB Entry DOI: 10.7270/Q2RV0NKJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50246934
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-fluorobenzamido)penty...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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0.194n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assay


J Med Chem 51: 7933-43 (2008)


Article DOI: 10.1021/jm801055h
BindingDB Entry DOI: 10.7270/Q2RV0NKJ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50246934
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-fluorobenzamido)penty...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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0.256n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assay


J Med Chem 51: 7933-43 (2008)


Article DOI: 10.1021/jm801055h
BindingDB Entry DOI: 10.7270/Q2RV0NKJ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50246935
PNG
((S)-2-(3-((S)-1-carboxy-5-(3-iodonicotinamido)pent...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1cncc(I)c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H23IN4O8/c19-11-7-10(8-20-9-11)15(26)21-6-2-1-3-12(16(27)28)22-18(31)23-13(17(29)30)4-5-14(24)25/h7-9,12-13H,1-6H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t12-,13-/m0/s1
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0.351n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assay


J Med Chem 51: 7933-43 (2008)


Article DOI: 10.1021/jm801055h
BindingDB Entry DOI: 10.7270/Q2RV0NKJ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50246935
PNG
((S)-2-(3-((S)-1-carboxy-5-(3-iodonicotinamido)pent...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1cncc(I)c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H23IN4O8/c19-11-7-10(8-20-9-11)15(26)21-6-2-1-3-12(16(27)28)22-18(31)23-13(17(29)30)4-5-14(24)25/h7-9,12-13H,1-6H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t12-,13-/m0/s1
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0.557n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assay


J Med Chem 51: 7933-43 (2008)


Article DOI: 10.1021/jm801055h
BindingDB Entry DOI: 10.7270/Q2RV0NKJ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304738
PNG
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)
Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304722
PNG
((S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iod...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#C)C(O)=O |r|
Show InChI InChI=1S/C19H22IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304731
PNG
((S)-2-(3-((S)-1-Carboxy-2-(furan-2-yl)ethyl)ureido...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1ccco1)C(O)=O |r|
Show InChI InChI=1S/C21H24IN3O7/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304751
PNG
((S)-2-(3-((S)-1-Carboxybut-3-enyl)ureido)-6-(4-iod...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O |r|
Show InChI InChI=1S/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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11n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304735
PNG
((S)-2-(3-((S)-1-Carboxy-2-(thiazol-4-yl)ethyl)urei...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1cscn1)C(O)=O |r|
Show InChI InChI=1S/C20H23IN4O6S/c21-13-6-4-12(5-7-13)17(26)22-8-2-1-3-15(18(27)28)24-20(31)25-16(19(29)30)9-14-10-32-11-23-14/h4-7,10-11,15-16H,1-3,8-9H2,(H,22,26)(H,27,28)(H,29,30)(H2,24,25,31)/t15-,16-/m0/s1
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16.1n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304732
PNG
((S)-2-(3-((S)-1-Carboxy-2-(thiophen-2-yl)ethyl)ure...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1cccs1)C(O)=O |r|
Show InChI InChI=1S/C21H24IN3O6S/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1
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16.2n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304727
PNG
((S)-2-(3-((S)-1-Carboxy-3-(methylthio)propyl)ureid...)
Show SMILES CSCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26IN3O6S/c1-30-11-9-15(18(27)28)23-19(29)22-14(17(25)26)4-2-3-10-21-16(24)12-5-7-13(20)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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23n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304728
PNG
((S)-2-(3-((S)-4-(Acetylthio)-1-carboxybutyl)ureido...)
Show SMILES CC(=O)SCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H28IN3O7S/c1-13(26)33-12-4-6-17(20(30)31)25-21(32)24-16(19(28)29)5-2-3-11-23-18(27)14-7-9-15(22)10-8-14/h7-10,16-17H,2-6,11-12H2,1H3,(H,23,27)(H,28,29)(H,30,31)(H2,24,25,32)/t16-,17-/m0/s1
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24.1n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304723
PNG
((S)-2-(3-((S)-1-Carboxybutyl)ureido)-6-(4-iodobenz...)
Show SMILES CCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h7-10,14-15H,2-6,11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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52.3n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304715
PNG
(2-(4-Hydroxy-3-methoxyphenyl)-2-(3-((S)-1-isopropo...)
Show SMILES COc1cc(ccc1O)C(NC(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C19H28N2O7/c1-10(2)8-13(18(25)28-11(3)4)20-19(26)21-16(17(23)24)12-6-7-14(22)15(9-12)27-5/h6-7,9-11,13,16,22H,8H2,1-5H3,(H,23,24)(H2,20,21,26)/t13-,16?/m0/s1
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81n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304729
PNG
((S)-2-(3-((S)-Carboxy(4-hydroxyphenyl)methyl)ureid...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@H](C(O)=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H24IN3O7/c23-15-8-4-14(5-9-15)19(28)24-12-2-1-3-17(20(29)30)25-22(33)26-18(21(31)32)13-6-10-16(27)11-7-13/h4-11,17-18,27H,1-3,12H2,(H,24,28)(H,29,30)(H,31,32)(H2,25,26,33)/t17-,18-/m0/s1
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85.1n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304737
PNG
((S)-2-(3-((S)-1-carboxy-2-(pyridin-3-yl)ethyl)urei...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1cccnc1)C(O)=O |r|
Show InChI InChI=1S/C22H25IN4O6/c23-16-8-6-15(7-9-16)19(28)25-11-2-1-5-17(20(29)30)26-22(33)27-18(21(31)32)12-14-4-3-10-24-13-14/h3-4,6-10,13,17-18H,1-2,5,11-12H2,(H,25,28)(H,29,30)(H,31,32)(H2,26,27,33)/t17-,18-/m0/s1
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97.2n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304736
PNG
((S)-2-(3-((S)-1-Carboxy-2-(pyridin-4-yl)ethyl)urei...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1ccncc1)C(O)=O |r|
Show InChI InChI=1S/C22H25IN4O6/c23-16-6-4-15(5-7-16)19(28)25-10-2-1-3-17(20(29)30)26-22(33)27-18(21(31)32)13-14-8-11-24-12-9-14/h4-9,11-12,17-18H,1-3,10,13H2,(H,25,28)(H,29,30)(H,31,32)(H2,26,27,33)/t17-,18-/m0/s1
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105n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304725
PNG
((S)-2-(3-((S)-1-Carboxy-2-cyanoethyl)ureido)-6-(4-...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#N)C(O)=O |r|
Show InChI InChI=1S/C18H21IN4O6/c19-12-6-4-11(5-7-12)15(24)21-10-2-1-3-13(16(25)26)22-18(29)23-14(8-9-20)17(27)28/h4-7,13-14H,1-3,8,10H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t13-,14-/m0/s1
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132n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304714
PNG
(2-(4-Hydroxy-3-methoxyphenyl)-2-(3-((S)-1-methoxy-...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H24N2O7/c1-9(2)7-11(16(23)26-4)18-17(24)19-14(15(21)22)10-5-6-12(20)13(8-10)25-3/h5-6,8-9,11,14,20H,7H2,1-4H3,(H,21,22)(H2,18,19,24)/t11-,14?/m0/s1
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153n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304713
PNG
((S)-2-(3-(Carboxy(4-hydroxy-3-methoxyphenyl)methyl...)
Show SMILES COc1cc(ccc1O)C(NC(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H22N2O7/c1-8(2)6-10(14(20)21)17-16(24)18-13(15(22)23)9-4-5-11(19)12(7-9)25-3/h4-5,7-8,10,13,19H,6H2,1-3H3,(H,20,21)(H,22,23)(H2,17,18,24)/t10-,13?/m0/s1
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250n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304724
PNG
((2S)-2-(3-((1S)-1-carboxy-2-(oxiran-2-yl)ethyl)ure...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC1CO1)C(O)=O |r|
Show InChI InChI=1S/C19H24IN3O7/c20-12-6-4-11(5-7-12)16(24)21-8-2-1-3-14(17(25)26)22-19(29)23-15(18(27)28)9-13-10-30-13/h4-7,13-15H,1-3,8-10H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t13?,14-,15-/m0/s1
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254n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304717
PNG
(2-(4-Hydroxy-3-iodophenyl)-2-(3-((S)-1-isopropoxy-...)
Show SMILES CC(C)C[C@H](NC(=O)NC(C(O)=O)c1ccc(O)c(I)c1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C18H25IN2O6/c1-9(2)7-13(17(25)27-10(3)4)20-18(26)21-15(16(23)24)11-5-6-14(22)12(19)8-11/h5-6,8-10,13,15,22H,7H2,1-4H3,(H,23,24)(H2,20,21,26)/t13-,15?/m0/s1
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275n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304730
PNG
((S)-2-(3-(Carboxy(4-hydroxy-3-methoxyphenyl)methyl...)
Show SMILES COc1cc(ccc1O)C(NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C23H26IN3O8/c1-35-18-12-14(7-10-17(18)28)19(22(32)33)27-23(34)26-16(21(30)31)4-2-3-11-25-20(29)13-5-8-15(24)9-6-13/h5-10,12,16,19,28H,2-4,11H2,1H3,(H,25,29)(H,30,31)(H,32,33)(H2,26,27,34)/t16-,19?/m0/s1
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285n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304750
PNG
((S)-1-(3-(1-Carboxy-5-(4-iodobenzamido)pentyl)urei...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)NC1(CC1)C(O)=O |r|
Show InChI InChI=1S/C18H22IN3O6/c19-12-6-4-11(5-7-12)14(23)20-10-2-1-3-13(15(24)25)21-17(28)22-18(8-9-18)16(26)27/h4-7,13H,1-3,8-10H2,(H,20,23)(H,24,25)(H,26,27)(H2,21,22,28)/t13-/m0/s1
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318n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304726
PNG
((S)-2-(3-((S)-3-Amino-1-carboxy-3-oxopropyl)ureido...)
Show SMILES NC(=O)C[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H23IN4O7/c19-11-6-4-10(5-7-11)15(25)21-8-2-1-3-12(16(26)27)22-18(30)23-13(17(28)29)9-14(20)24/h4-7,12-13H,1-3,8-9H2,(H2,20,24)(H,21,25)(H,26,27)(H,28,29)(H2,22,23,30)/t12-,13-/m0/s1
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320n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304718
PNG
((S)-2-(3-bromo-4-hydroxyphenyl)-2-(3-((S)-1-methox...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1ccc(O)c(Br)c1 |r|
Show InChI InChI=1S/C16H21BrN2O6/c1-8(2)6-11(15(23)25-3)18-16(24)19-13(14(21)22)9-4-5-12(20)10(17)7-9/h4-5,7-8,11,13,20H,6H2,1-3H3,(H,21,22)(H2,18,19,24)/t11-,13?/m0/s1
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400n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304716
PNG
((S)-2-(4-Hydroxy-3-iodophenyl)-2-(3-((S)-1-methoxy...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1ccc(O)c(I)c1 |r|
Show InChI InChI=1S/C16H21IN2O6/c1-8(2)6-11(15(23)25-3)18-16(24)19-13(14(21)22)9-4-5-12(20)10(17)7-9/h4-5,7-8,11,13,20H,6H2,1-3H3,(H,21,22)(H2,18,19,24)/t11-,13?/m0/s1
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475n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304719
PNG
((S)-2-(3,5-dibromo-4-hydroxyphenyl)-2-(3-((S)-1-me...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1cc(Br)c(O)c(Br)c1 |r|
Show InChI InChI=1S/C16H20Br2N2O6/c1-7(2)4-11(15(24)26-3)19-16(25)20-12(14(22)23)8-5-9(17)13(21)10(18)6-8/h5-7,11-12,21H,4H2,1-3H3,(H,22,23)(H2,19,20,25)/t11-,12?/m0/s1
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575n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304739
PNG
(2-(3-(1-Carboxy-2-(4-hydroxyphenyl)ethyl)ureido)-4...)
Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H22N2O6/c1-9(2)7-12(14(20)21)17-16(24)18-13(15(22)23)8-10-3-5-11(19)6-4-10/h3-6,9,12-13,19H,7-8H2,1-2H3,(H,20,21)(H,22,23)(H2,17,18,24)/t12-,13-/m0/s1
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700n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304711
PNG
((S)-2-(3-((S)-carboxy(4-hydroxyphenyl)methyl)ureid...)
Show SMILES CC(C)C[C@H](NC(=O)NC(C(O)=O)c1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C15H20N2O6/c1-8(2)7-11(13(19)20)16-15(23)17-12(14(21)22)9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7H2,1-2H3,(H,19,20)(H,21,22)(H2,16,17,23)/t11-,12?/m0/s1
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775n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304733
PNG
((S)-2-(3-((R)-1-Carboxy-2-(furan-2-yl)ethyl)ureido...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@H](Cc1ccco1)C(O)=O |r|
Show InChI InChI=1S/C21H24IN3O7/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17+/m0/s1
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794n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304734
PNG
((S)-2-(3-((R)-1-Carboxy-2-(thiophen-2-yl)ethyl)ure...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@H](Cc1cccs1)C(O)=O |r|
Show InChI InChI=1S/C21H24IN3O6S/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17+/m0/s1
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795n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304748
PNG
((S)-2-(3-(Carboxymethyl)ureido)-6-(4-iodobenzamido...)
Show SMILES OC(=O)CNC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O |r|
Show InChI InChI=1S/C16H20IN3O6/c17-11-6-4-10(5-7-11)14(23)18-8-2-1-3-12(15(24)25)20-16(26)19-9-13(21)22/h4-7,12H,1-3,8-9H2,(H,18,23)(H,21,22)(H,24,25)(H2,19,20,26)/t12-/m0/s1
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1.32E+3n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304720
PNG
((S)-2-(3-Fluoro-4-hydroxyphenyl)-2-(3-(1-methoxy-4...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1ccc(O)c(F)c1 |r|
Show InChI InChI=1S/C16H21FN2O6/c1-8(2)6-11(15(23)25-3)18-16(24)19-13(14(21)22)9-4-5-12(20)10(17)7-9/h4-5,7-8,11,13,20H,6H2,1-3H3,(H,21,22)(H2,18,19,24)/t11-,13?/m0/s1
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Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304742
PNG
((S)-3-(2-Carboxy-2-(3-(1-carboxy-3-methylbutyl)ure...)
Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H22N2O7/c1-9(2)6-12(15(22)23)18-17(26)19-13(16(24)25)8-10-4-3-5-11(7-10)14(20)21/h3-5,7,9,12-13H,6,8H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t12-,13-/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304749
PNG
((S)-2-(3-(3-Carboxypropyl)ureido)-6-(4-iodobenzami...)
Show SMILES OC(=O)CCCNC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O |r|
Show InChI InChI=1S/C18H24IN3O6/c19-13-8-6-12(7-9-13)16(25)20-10-2-1-4-14(17(26)27)22-18(28)21-11-3-5-15(23)24/h6-9,14H,1-5,10-11H2,(H,20,25)(H,23,24)(H,26,27)(H2,21,22,28)/t14-/m0/s1
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3.43E+3n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304744
PNG
((S)-2-(3-((S)-1-Carboxy-3-(methylthio)propyl)ureid...)
Show SMILES CSCCC[C@H](NC(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C13H24N2O5S/c1-8(2)7-10(12(18)19)15-13(20)14-9(11(16)17)5-4-6-21-3/h8-10H,4-7H2,1-3H3,(H,16,17)(H,18,19)(H2,14,15,20)/t9-,10-/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304746
PNG
((S)-5-amino-2-(3-((S)-1-methoxy-4-methyl-1-oxopent...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](CCCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C14H25N3O6/c1-8(2)7-10(13(21)23-3)17-14(22)16-9(12(19)20)5-4-6-11(15)18/h8-10H,4-7H2,1-3H3,(H2,15,18)(H,19,20)(H2,16,17,22)/t9-,10-/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304740
PNG
(2-(3-(1-Carboxy-2-(4-hydroxy-3-iodophenyl)ethyl)ur...)
Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H21IN2O6/c1-8(2)5-11(14(21)22)18-16(25)19-12(15(23)24)7-9-3-4-13(20)10(17)6-9/h3-4,6,8,11-12,20H,5,7H2,1-2H3,(H,21,22)(H,23,24)(H2,18,19,25)/t11-,12-/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304712
PNG
((2S)-2-(3-(carboxy(3,5-dihydroxyphenyl)methyl)urei...)
Show SMILES CC(C)C[C@H](NC(=O)NC(C(O)=O)c1cc(O)cc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H20N2O7/c1-7(2)3-11(13(20)21)16-15(24)17-12(14(22)23)8-4-9(18)6-10(19)5-8/h4-7,11-12,18-19H,3H2,1-2H3,(H,20,21)(H,22,23)(H2,16,17,24)/t11-,12?/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304710
PNG
((S)-2-(3-(Carboxy(3-hydroxyphenyl)methyl)ureido)-4...)
Show SMILES CC(C)C[C@H](NC(=O)NC(C(O)=O)c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H20N2O6/c1-8(2)6-11(13(19)20)16-15(23)17-12(14(21)22)9-4-3-5-10(18)7-9/h3-5,7-8,11-12,18H,6H2,1-2H3,(H,19,20)(H,21,22)(H2,16,17,23)/t11-,12?/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304747
PNG
((S)-2-(3-((S)-1-Carboxy-2-(1H-indol-3-yl)ethyl)ure...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](CCc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C20H27N3O5/c1-12(2)10-17(19(26)28-3)23-20(27)22-16(18(24)25)9-8-13-11-21-15-7-5-4-6-14(13)15/h4-7,11-12,16-17,21H,8-10H2,1-3H3,(H,24,25)(H2,22,23,27)/t16-,17-/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304709
PNG
((S)-2-(3-hydroxyphenyl)-2-(3-(1-methoxy-4-methyl-1...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C16H22N2O6/c1-9(2)7-12(15(22)24-3)17-16(23)18-13(14(20)21)10-5-4-6-11(19)8-10/h4-6,8-9,12-13,19H,7H2,1-3H3,(H,20,21)(H2,17,18,23)/t12-,13?/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304743
PNG
((S)-3-(2-Carboxy-2-(3-(1-methoxy-4-methyl-1-oxopen...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H24N2O7/c1-10(2)7-14(17(25)27-3)20-18(26)19-13(16(23)24)9-11-5-4-6-12(8-11)15(21)22/h4-6,8,10,13-14H,7,9H2,1-3H3,(H,21,22)(H,23,24)(H2,19,20,26)/t13-,14-/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304721
PNG
((S)-2-(4-Fluoro-3-methoxyphenyl)-2-(3-(1-methoxy-4...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1ccc(F)c(OC)c1 |r|
Show InChI InChI=1S/C17H23FN2O6/c1-9(2)7-12(16(23)26-4)19-17(24)20-14(15(21)22)10-5-6-11(18)13(8-10)25-3/h5-6,8-9,12,14H,7H2,1-4H3,(H,21,22)(H2,19,20,24)/t12-,14?/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304741
PNG
((S)-3-(3-Hydroxyphenyl)-2-(3-(1-methoxy-4-methyl-1...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](Cc1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C17H24N2O6/c1-10(2)7-14(16(23)25-3)19-17(24)18-13(15(21)22)9-11-5-4-6-12(20)8-11/h4-6,8,10,13-14,20H,7,9H2,1-3H3,(H,21,22)(H2,18,19,24)/t13-,14-/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304745
PNG
((S)-2-(3-((S)-1-Methoxy-4-methyl-1-oxopentan-2-yl)...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](CCCSC)C(O)=O |r|
Show InChI InChI=1S/C14H26N2O5S/c1-9(2)8-11(13(19)21-3)16-14(20)15-10(12(17)18)6-5-7-22-4/h9-11H,5-8H2,1-4H3,(H,17,18)(H2,15,16,20)/t10-,11-/m0/s1
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Institutions

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50268077
PNG
((S)-4-(2-hydroxy-3-(1-(4-methoxyphenyl)-2-methylpr...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 |r|
Show InChI InChI=1S/C21H27N3O4/c1-21(2,11-14-7-9-16(27-3)10-8-14)22-12-15(25)13-28-18-6-4-5-17-19(18)24-20(26)23-17/h4-10,15,22,25H,11-13H2,1-3H3,(H2,23,24,26)/t15-/m0/s1
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n/an/a 0.00130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of beta2 adrenergic receptor


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
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